Reaction Details | |||
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Target | Choline kinase alpha | ||
Ligand | BDBM50579784 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
IC50 | 34±n/a nM | ||
Citation | Quartieri, F; Nesi, M; Avanzi, NR; Borghi, D; Casale, E; Corti, E; Cucchi, U; Donati, D; Fasolini, M; Felder, ER; Galvani, A; Giorgini, ML; Lomolino, A; Menichincheri, M; Orrenius, C; Perrera, C; Re Depaolini, S; Riccardi-Sirtori, F; Salsi, E; Isacchi, A; Gnocchi, P Identification of unprecedented ATP-competitive choline kinase inhibitors. Bioorg Med Chem Lett51:0 (2021) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Choline kinase alpha | |||
Name: | Choline kinase alpha | ||
Synonyms: | CHK | CHKA | CHKA_HUMAN | CKI | Choline kinase alpha | ||
Type: | PROTEIN | ||
Mol. Mass.: | 52248.44 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_1290064 | ||
Residue: | 457 | ||
Sequence: |
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BDBM50579784 | |||
n/a | |||
Name | BDBM50579784 | ||
Synonyms: | CHEMBL5091201 | ||
Type | Small organic molecule | ||
Emp. Form. | C16H18FN7OS | ||
Mol. Mass. | 375.424 | ||
SMILES | Cc1csc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(F)nc23)n1 |r,wU:11.14,8.7,(4.23,-45.63,;5.68,-46.1,;6.83,-45.08,;8.16,-45.85,;7.84,-47.36,;8.87,-48.51,;10.37,-48.2,;11.4,-49.35,;10.86,-46.74,;9.83,-45.58,;10.31,-44.13,;11.82,-43.82,;12.86,-44.95,;12.37,-46.42,;12.3,-42.35,;11.4,-41.11,;12.3,-39.86,;13.77,-40.34,;15.1,-39.56,;15.09,-38.02,;16.43,-40.33,;16.44,-41.88,;17.77,-42.65,;15.1,-42.65,;13.76,-41.88,;6.3,-47.51,)| | ||
Structure |